Dresden 2009 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 42: Poster Session II (Nanostructures at surfaces: arrays; Nanostructures at surfaces: Dots, particles, clusters; Nanostructures at surfaces: Other; Nanostructures at surfaces: Wires, tubes; Metal substrates: Adsorption of O and/or H; Metal substrates: Clean surfaces; Metal substrates: Adsorption of organic/bio moledules; Metal substrates: Solid-liquid interfaces; Metal substrates: Adsorption of inorganic molecules; Metal substrates: Epitaxy and growth; Heterogeneous catalysis; Surface chemical reactions; Ab-initio approaches to excitations in condensed matter; Organic, polymeric, biomolecular films– also with adsorbates; Particles and clusters)

O 42.43: Poster

Mittwoch, 25. März 2009, 17:45–20:30, P2

2D chemistry on Au(111) surfaces — •Eva Rauls, Stephan Blankenburg, and Wolf Gero Schmidt — Theoretische Physik, Universität Paderborn, Germany

The design of functional two-dimensional molecular networks has become an area of intense research [1,2]. The constraint to 2 in contrast to the availability of 3 dimensions has a large impact on many chemical reactions. Chemical reactions between surface adsorbed molecules may lead to products very different from those obtained in solutions or the gas phase. The imide formation between a diaminoterphenyl (DATP) and a PTCDA molecule [3] is one very interesting example in this respect. In scanning tunneling microscopy (STM) experiments, it has been observed that the Au surface changes both the reaction path and the reaction product compared to 3D. In order to understand these experimental observations, we have studied the chemical reactions both in solution and on the Au(111) surface by density-functional theory calculations in the generalized-gradient approximation.
[1] S. Blankenburg and W. G. Schmidt, PRL 99, 196107 (2007).
[2] E. Rauls and W.G. Schmidt, J. Phys. Chem C 112, 11490 (2008).
[3] M. Treier, N.V. Richardson, and R. Fasel, JACS 130, 14054 (2008).